CID 3078313

Leucinamide, n-(2-mercaptoethyl)-, hydrobromide

Structural Information

Molecular Formula
C8H18N2OS
SMILES
CC(C)C[C@@H](C(=O)NCCS)N
InChI
InChI=1S/C8H18N2OS/c1-6(2)5-7(9)8(11)10-3-4-12/h6-7,12H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKey
QCSNUCDGMRLGGP-ZETCQYMHSA-N
Compound name
(2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11398 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.12126 145.7
[M+Na]+ 213.10320 149.7
[M-H]- 189.10670 145.0
[M+NH4]+ 208.14780 164.7
[M+K]+ 229.07714 148.5
[M+H-H2O]+ 173.11124 139.5
[M+HCOO]- 235.11218 161.7
[M+CH3COO]- 249.12783 189.0
[M+Na-2H]- 211.08865 144.2
[M]+ 190.11343 145.7
[M]- 190.11453 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.